UCSF

ZINC42899225

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 7.17 -48.78 3 2 1 31 267.396 6
Mid Mid (pH 6-8) 2.49 9.01 -130.04 4 2 2 32 268.404 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )